Crystallography Open Database

Information card for entry 4110545

Preview

Coordinates	4110545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.93 H73.01 Cl5.79 N7 O10.04
Calculated formula	C47.9286 H72.9286 Cl5.78571 N7 O10.0429
Title of publication	New Helical Foldamers: Heterogeneous Backbones with 1:2 and 2:1 α:β-Amino Acid Residue Patterns
Authors of publication	Margaret A. Schmitt; Soo Hyuk Choi; Ilia A. Guzei; Samuel H. Gellman
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	4538 - 4539
a	15.5904 ± 0.0009 Å
b	23.5849 ± 0.0014 Å
c	28.7199 ± 0.0017 Å
α	101.915 ± 0.0009°
β	93.0456 ± 0.0008°
γ	103.457 ± 0.0008°
Cell volume	9992 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1692
Weighted residual factors for all reflections included in the refinement	0.1753
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4110545.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110545.cif
59344	2012-06-05	cif/ Adding structures of 4110545 via cif-deposit CGI script.	4110545.cif